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Key value for chemical safety assessment

Genetic toxicity in vitro

Description of key information

Three QSAR models were used to evaluate the Mutagenic potential of 2,3 -Dichlorobenzonitril.

As all three models returned a negative result 2,3 -Dichlorobenzontiril can be considered to be non mutagenic in the Ames-Test.

Link to relevant study records

Referenceopen allclose all

Endpoint:
in vitro gene mutation study in bacteria
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE
VEGA package: VEGA_NIC_1.1.0_binaries

2. MODEL (incl. version number)
Mutagenicity (Ames test) model (CAESAR) 2.1.13

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
N#Cc1cccc(c1Cl)Cl

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
see attachment

5. APPLICABILITY DOMAIN
see attachment
Reliability statement from VEGA package and additional inspection of similarity with analogues in the training set.

6. ADEQUACY OF THE RESULT
Predicted result for the endpoint “Mutagenicity” is negative, so no classification is needed.
Principles of method if other than guideline:
see "justification for type of information"
Key result
Species / strain:
not specified
Metabolic activation:
with and without
Genotoxicity:
negative
Cytotoxicity / choice of top concentrations:
not determined
Endpoint:
in vitro gene mutation study in bacteria
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE
VEGA package: VEGA_NIC_1.1.0_binaries

2. MODEL (incl. version number)
Mutagenicity (Ames test) model (KNN/Read-Across) 1.0.0

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
N#Cc1cccc(c1Cl)Cl

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
see attachment

5. APPLICABILITY DOMAIN
see attachment
Reliability statement from VEGA package and additional inspection of similarity with analogues in the training set.

6. ADEQUACY OF THE RESULT
Predicted result for the endpoint “Mutagenicity” is negative, so no classification is needed.
Principles of method if other than guideline:
see "justification for type of information"
Key result
Species / strain:
not specified
Metabolic activation:
with and without
Genotoxicity:
negative
Cytotoxicity / choice of top concentrations:
not determined
Endpoint:
in vitro gene mutation study in bacteria
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE
VEGA package: VEGA_NIC_1.1.0_binaries

2. MODEL (incl. version number)
Mutagenicity (Ames test) model (SarPy/IRFMN) 1.0.7

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
N#Cc1cccc(c1Cl)Cl

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
see attachment

5. APPLICABILITY DOMAIN
see attachment
Reliability statement from VEGA package and additional inspection of similarity with analogues in the training set.

6. ADEQUACY OF THE RESULT
Predicted result for the endpoint “Mutagenicity” is negative, so no classification is needed.
Principles of method if other than guideline:
see "justification for type of information"
Key result
Species / strain:
not specified
Metabolic activation:
with and without
Genotoxicity:
negative
Cytotoxicity / choice of top concentrations:
not determined
Endpoint conclusion
Endpoint conclusion:
no adverse effect observed (negative)

Genetic toxicity in vivo

Endpoint conclusion
Endpoint conclusion:
no study available

Additional information

Justification for classification or non-classification

Three QSAR models were used to evaluate the Mutagenic potential of 2,3 -Dichlorobenzonitril.

As all three models returned a negative result 2,3 -Dichlorobenzontiril can be considered to be non mutagenic in the Ames-Test, so no classification is needed.